Concepedia

Theoretical study of substituents effect on C–NO2 bond strength in mono substituted nitrobenzenes

B. Nguyen Van, Roman Tsyshevsky

Computational and Theoretical Chemistry · 2013 · 14 citations · 25 references

DOI

Concepts

References

25

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

Gaussian-2 theory for molecular energies of first- and second-row compounds

Larry A. Curtiss, Krishnan Raghavachari, Gary W. Trucks et al. · The Journal of Chemical Physics · 1991 · 3.4K citations

, , +14

A complete basis set model chemistry. I. The total energies of closed-shell atoms and hydrides of the first-row elements

George A. Petersson, Andrew F. Bennett, Thomas G. Tensfeldt et al. · The Journal of Chemical Physics · 1988 · 3.1K citations

, , +13